2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine

C15H23N3O — CID 119152223

IUPAC2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
SMILESCOC1CC(/N=C(\N)Nc2cccc(C)c2)C1(C)C
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-11(8-10)17-14(16)18-12-9-13(19-4)15(12,2)3/h5-8,12-13H,9H2,1-4H3,(H3,16,17,18)
InChIKeyVGNYNAZCWDCQQB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine

2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine (PubChem CID 119152223) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
PubChem CID119152223
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
SMILESCOC1CC(/N=C(\N)Nc2cccc(C)c2)C1(C)C
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-11(8-10)17-14(16)18-12-9-13(19-4)15(12,2)3/h5-8,12-13H,9H2,1-4H3,(H3,16,17,18)
InChIKeyVGNYNAZCWDCQQB-UHFFFAOYSA-N
XLogP2.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111822982
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 119152209
1-(3-methylphenyl)-2-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125974
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
1-(3-methylphenyl)-2-spiro[3.4]octan-3-ylguanidine
CID 120514416
1-(3,4-dimethylphenyl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
CID 122098951
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
1-(3-methylphenyl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046076
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
CID 122098926

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine (CID 119152223) is 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine is COC1CC(/N=C(\N)Nc2cccc(C)c2)C1(C)C.
What is the InChIKey of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine?
The InChIKey is VGNYNAZCWDCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-5-7-11(8-10)17-14(16)18-12-9-13(19-4)15(12,2)3/h5-8,12-13H,9H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine?
2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 119152223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).